(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide

C17H25FN2O2 — CID 95969356

IUPAC(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H25FN2O2/c1-12(2)16(10-13-5-7-14(18)8-6-13)19-17(22)20-9-3-4-15(21)11-20/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyYIKYNURNWHZTJM-CVEARBPZSA-N
MW308.40 g/mol
LogP2.56
Rot. Bonds4

About (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide

(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 95969356) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID95969356
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
SMILESCC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H25FN2O2/c1-12(2)16(10-13-5-7-14(18)8-6-13)19-17(22)20-9-3-4-15(21)11-20/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyYIKYNURNWHZTJM-CVEARBPZSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
(2R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-2-(methoxymethyl)morpholine-4-carboxamide
CID 95969370
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
CID 91651956
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
N-(dicyclopropylmethyl)-3-hydroxypiperidine-1-carboxamide
CID 110895589
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide (CID 95969356) is (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide is CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is YIKYNURNWHZTJM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(2)16(10-13-5-7-14(18)8-6-13)19-17(22)20-9-3-4-15(21)11-20/h5-8,12,15-16,21H,3-4,9-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide?
(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 95969356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).